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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50531784
Substrate
n/a
Meas. Tech.
TBD
IC50
0.708±n/a nM
Citation
 Thomas, SB; Hopper, AT; Welsch, M Compositions and methods for treating infections US Patent  US11530198 Publication Date 12/20/2022 
Target
Name:
Bifunctional dihydrofolate reductase-thymidylate synthase
Synonyms:
PfDHFR-TS double mutant (C59R+S108N) | DHFR-TS | Dihydrofolate reductase | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 | DRTS_PLAFK
Type:
Enzyme
Mol. Mass.:
71822.51
Organism:
Plasmodium Falciparum
Description:
The mutant clone was prepared by cassette mutagenesis using wildtype pfDHFR as a template, and expressed in E. coli.
Residue:
608
Sequence:
MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCIKGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKEEKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA
  
Inhibitor
Name:
BDBM50531784
Synonyms:
Fanotaprim | TRC-2533 | TRC-2533-NX | VYR-006 | US11530198, Example 78
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
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